./iterations/neb0_image05_iter287.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.469593387878 0.280187582863 0.493455891523} O1 1 1
14 {} {0.326448008328 0.236363139144 0.558034951964} Si1 2 1
14 {} {0.616691773329 0.349121517717 0.474234809075} Si2 3 1
8 {} {0.61213499693 0.503535555297 0.527833372058} O2 4 1
8 {} {0.24711759015 0.365037108812 0.62254210906} O3 5 1
14 {} {0.230314461623 0.526770809883 0.648788040746} Si3 6 1
14 {} {0.579956672191 0.654233372169 0.466658221225} Si4 7 1
1 {} {0.344960894989 0.140520700862 0.670135202034} H1 8 1
1 {} {0.243967971051 0.178740930471 0.447395563726} H2 9 1
1 {} {0.646693516151 0.349785443651 0.329247233459} H3 10 1
1 {} {0.713921171254 0.274671219127 0.557573795196} H4 11 1
1 {} {0.124043391761 0.555023597254 0.7469078849} H5 12 1
1 {} {0.362834402084 0.566269256857 0.705520659711} H6 13 1
1 {} {0.546959119474 0.747626118199 0.577600315345} H7 14 1
1 {} {0.463816872132 0.646832305193 0.374498671013} H8 15 1
1 {} {0.695915470121 0.701944026487 0.388876108971} H10 16 1
8 {} {0.181478839277 0.611828089793 0.515874193662} O 17 1
1 {} {0.203237540451 0.584027390591 0.425881217104} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end